Electronic contact properties for Janus MoSiN₃H/Graphene heterostructure

Achieving ohmic contact between metals and semiconductors helps to achieve efficient electrical connections and excellent device performance. Based on density functional theory, we investigated the contact properties between MoSiN₃H and Graphene electrodes. The research results reveal that since MoSiN3H is of Janus structure, different contact surfaces exhibit distinct contact properties when in contact with Graphene. When the hydrogen atom ends of MoSiN₃H come into contact with Graphene, they can directly form p-type ohmic contact. However, when the nitrogen atom end of MoSiN3H comes into contact with graphene, an n-type Schottky contact is formed. Adjusting the interlayer distance or applying an external electric field can control the Schottky barrier height and contact type. Our research provides guidance for the fabrication of MoSiN3H nanodevices based on graphene electrodes and lays the foundation for the wide application of Janus two-dimensional semiconductors.